./iterations/neb0_image09_iter212.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.472376855054 0.215414663778 0.493673158391} O1 1 1
14 {} {0.333035249112 0.215013403623 0.581872136106} Si1 2 1
14 {} {0.605925175883 0.296732179944 0.445015851615} Si2 3 1
8 {} {0.569783391674 0.451977094809 0.402811636842} O2 4 1
8 {} {0.322787962179 0.348954491389 0.676446754799} O3 5 1
14 {} {0.29992862309 0.512311234234 0.673121541602} Si3 6 1
14 {} {0.511244898594 0.596977908093 0.452899554727} Si4 7 1
1 {} {0.334599834149 0.0966421199465 0.671348697168} H1 8 1
1 {} {0.218584269055 0.21184264605 0.486595118742} H2 9 1
1 {} {0.659258760479 0.228930009872 0.324159773524} H3 10 1
1 {} {0.70534814917 0.299503402816 0.556258368728} H4 11 1
1 {} {0.154900732621 0.542523755289 0.659270789718} H5 12 1
1 {} {0.357443505212 0.568179964301 0.798530303338} H6 13 1
1 {} {0.316995935599 0.910906285313 0.430262553892} H7 14 1
1 {} {0.474028613003 0.673922121586 0.331303576316} H8 15 1
1 {} {0.615060305612 0.666536780497 0.534620015914} H10 16 1
8 {} {0.375665166646 0.578728252336 0.543193028587} O 17 1
1 {} {0.283118679495 0.857421646598 0.469674781442} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 0 0
11 5 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end